ChemSpider 2D Image | 2-(Hydroxymethyl)-4-nitrophenyl methanesulfonate | C8H9NO6S

2-(Hydroxymethyl)-4-nitrophenyl methanesulfonate

  • Molecular FormulaC8H9NO6S
  • Average mass247.225 Da
  • Monoisotopic mass247.015060 Da
  • ChemSpider ID26271467

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(Hydroxymethyl)-4-nitrophenyl methanesulfonate [ACD/IUPAC Name]
2-(Hydroxymethyl)-4-nitrophenyl-methansulfonat [German] [ACD/IUPAC Name]
Benzenemethanol, 2-[(methylsulfonyl)oxy]-5-nitro- [ACD/Index Name]
Méthanesulfonate de 2-(hydroxyméthyl)-4-nitrophényle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 496.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 254.0±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 54.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.44
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.44
Polar Surface Area: 118 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 160.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement